2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid

C13H18N2O6S — CID 8891748

IUPAC2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1O
InChIInChI=1S/C13H18N2O6S/c16-12-2-1-10(9-11(12)13(17)18)22(19,20)14-3-4-15-5-7-21-8-6-15/h1-2,9,14,16H,3-8H2,(H,17,18)
InChIKeyPNCUOPJHGHBDBV-UHFFFAOYSA-N
MW330.36 g/mol
LogP-0.30
Rot. Bonds6

About 2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid

2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid (PubChem CID 8891748) has the molecular formula C13H18N2O6S and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
PubChem CID8891748
Molecular FormulaC13H18N2O6S
Molecular Weight330.36 g/mol
Exact Mass330.09
IUPAC Name2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1O
InChIInChI=1S/C13H18N2O6S/c16-12-2-1-10(9-11(12)13(17)18)22(19,20)14-3-4-15-5-7-21-8-6-15/h1-2,9,14,16H,3-8H2,(H,17,18)
InChIKeyPNCUOPJHGHBDBV-UHFFFAOYSA-N
XLogP-0.30
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348206
5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
CID 61403327
4-tert-butyl-N-(2-morpholin-4-ylethyl)benzenesulfonamide;oxalic acid
CID 56603480
N-(2-morpholin-4-ylethyl)naphthalene-2-sulfonamide chloride
CID 45109707
2-hydroxy-5-(2-pyrazol-1-ylethylsulfamoyl)benzoic acid
CID 61463014
3-amino-4-chloro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 29266796
3-chloro-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 697764
N-(2-morpholin-4-ylethyl)-4-[4-(2-morpholin-4-ylethylsulfamoyl)phenoxy]benzenesulfonamide
CID 2908203
4-hydroxy-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43348296
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 60727298
N-[2-methoxy-5-(2-morpholin-4-ylethylsulfamoyl)phenyl]acetamide
CID 8777848

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid (CID 8891748) is 2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid is O=C(O)c1cc(S(=O)(=O)NCCN2CCOCC2)ccc1O.
What is the InChIKey of 2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid?
The InChIKey is PNCUOPJHGHBDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6S/c16-12-2-1-10(9-11(12)13(17)18)22(19,20)14-3-4-15-5-7-21-8-6-15/h1-2,9,14,16H,3-8H2,(H,17,18).
What are the key properties of 2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid?
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid has a molecular weight of 330.36 g/mol, XLogP of -0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid is sourced from PubChem (CID 8891748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).